Molecule

ID:86734

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Cl₃N₄S
Molecular Mass
385.69864
Exact Mass
383.97700041
Charge
0
InChI
InChI=1S/C15H11Cl3N4S/c1-22-14(10-6-12(17)19-13(18)7-10)20-21-15(22)23-8-9-2-4-11(16)5-3-9/h2-7H,8H2,1H3
InChIKey
ZILVGEKMYSONEE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CSc1nnc(n1C)c1cc(Cl)nc(c1)Cl
Isomeric Smiles
n1(c(nnc1SCc1ccc(cc1)Cl)c1cc(nc(c1)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.110708
LogD (pH = 7.4)
5.1107483
Log P
5.110749
Molar Refractivity
110.5014
Polarizability
37.6781
Polar Surface Area
43.6
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation